Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50042104 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Ricin
(Ricinus communis) | BDBM50420411
(CHEMBL2089319)Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cn(CSc2ccccc2)nn1 Show InChI InChI=1S/C17H15N9O2S/c18-17-22-14-13(16(28)23-17)19-7-12(21-14)15(27)20-6-10-8-26(25-24-10)9-29-11-4-2-1-3-5-11/h1-5,7-8H,6,9H2,(H,20,27)(H3,18,21,22,23,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay |
ACS Med Chem Lett 3: 588-591 (2012)
Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B |
More data for this
Ligand-Target Pair | |
Ricin
(Ricinus communis) | BDBM50420407
(CHEMBL2089314)Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1ccc(o1)C(=O)NCCNc1ccccc1 Show InChI InChI=1S/C21H20N8O4/c22-21-28-17-16(20(32)29-21)25-11-14(27-17)18(30)26-10-13-6-7-15(33-13)19(31)24-9-8-23-12-4-2-1-3-5-12/h1-7,11,23H,8-10H2,(H,24,31)(H,26,30)(H3,22,27,28,29,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay |
ACS Med Chem Lett 3: 588-591 (2012)
Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B |
More data for this
Ligand-Target Pair | |
Ricin
(Ricinus communis) | BDBM50420404
(CHEMBL2089311)Show InChI InChI=1S/C10H9N9O2/c11-10-16-7-6(9(21)17-10)12-3-5(15-7)8(20)13-1-4-2-14-19-18-4/h2-3H,1H2,(H,13,20)(H,14,18,19)(H3,11,15,16,17,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay |
ACS Med Chem Lett 3: 588-591 (2012)
Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B |
More data for this
Ligand-Target Pair | |
Ricin
(Ricinus communis) | BDBM50420410
(CHEMBL2089318)Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cn(Cc2cccnc2)nn1 Show InChI InChI=1S/C16H14N10O2/c17-16-22-13-12(15(28)23-16)19-6-11(21-13)14(27)20-5-10-8-26(25-24-10)7-9-2-1-3-18-4-9/h1-4,6,8H,5,7H2,(H,20,27)(H3,17,21,22,23,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay |
ACS Med Chem Lett 3: 588-591 (2012)
Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B |
More data for this
Ligand-Target Pair | |
Ricin
(Ricinus communis) | BDBM50420413
(CHEMBL2089310)Show InChI InChI=1S/C11H10N8O2/c12-11-18-8-7(10(21)19-11)15-3-5(17-8)9(20)16-4-6-13-1-2-14-6/h1-3H,4H2,(H,13,14)(H,16,20)(H3,12,17,18,19,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay |
ACS Med Chem Lett 3: 588-591 (2012)
Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B |
More data for this
Ligand-Target Pair | |
Ricin
(Ricinus communis) | BDBM50420415
(CHEMBL2086423)Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cn(CCc2ccccc2)nn1 Show InChI InChI=1S/C18H17N9O2/c19-18-23-15-14(17(29)24-18)20-9-13(22-15)16(28)21-8-12-10-27(26-25-12)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H,21,28)(H3,19,22,23,24,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay |
ACS Med Chem Lett 3: 588-591 (2012)
Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B |
More data for this
Ligand-Target Pair | |
Ricin
(Ricinus communis) | BDBM50420403
(CHEMBL2089309)Show InChI InChI=1S/C13H12N6O2S/c14-13-18-10-9(12(21)19-13)16-6-8(17-10)11(20)15-4-3-7-2-1-5-22-7/h1-2,5-6H,3-4H2,(H,15,20)(H3,14,17,18,19,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay |
ACS Med Chem Lett 3: 588-591 (2012)
Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B |
More data for this
Ligand-Target Pair | |
Ricin
(Ricinus communis) | BDBM50351569
(CHEMBL1738820)Show InChI InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)9-1-2(10-4)6(14)15/h1H,(H,14,15)(H3,8,10,11,12,13) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | 2.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay |
ACS Med Chem Lett 3: 588-591 (2012)
Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Ricin
(Ricinus communis) | BDBM50351572
(CHEMBL1738821)Show InChI InChI=1S/C12H10N6O3/c13-12-17-9-8(11(20)18-12)14-5-7(16-9)10(19)15-4-6-2-1-3-21-6/h1-3,5H,4H2,(H,15,19)(H3,13,16,17,18,20) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay |
ACS Med Chem Lett 3: 588-591 (2012)
Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ricin
(Ricinus communis) | BDBM50420402
(CHEMBL2089308)Show InChI InChI=1S/C12H10N6O2S/c13-12-17-9-8(11(20)18-12)14-5-7(16-9)10(19)15-4-6-2-1-3-21-6/h1-3,5H,4H2,(H,15,19)(H3,13,16,17,18,20) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay |
ACS Med Chem Lett 3: 588-591 (2012)
Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B |
More data for this
Ligand-Target Pair | |
Ricin
(Ricinus communis) | BDBM50420406
(CHEMBL2089313)Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1ccc(o1)C(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C23H20N8O4/c24-23-30-19-18(22(34)31-23)27-11-16(29-19)20(32)28-10-13-5-6-17(35-13)21(33)25-8-7-12-9-26-15-4-2-1-3-14(12)15/h1-6,9,11,26H,7-8,10H2,(H,25,33)(H,28,32)(H3,24,29,30,31,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay |
ACS Med Chem Lett 3: 588-591 (2012)
Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B |
More data for this
Ligand-Target Pair | |
Ricin
(Ricinus communis) | BDBM50420408
(CHEMBL2089316)Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1 Show InChI InChI=1S/C17H14BrN9O2/c18-10-3-1-9(2-4-10)7-27-8-11(25-26-27)5-21-15(28)12-6-20-13-14(22-12)23-17(19)24-16(13)29/h1-4,6,8H,5,7H2,(H,21,28)(H3,19,22,23,24,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay |
ACS Med Chem Lett 3: 588-591 (2012)
Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B |
More data for this
Ligand-Target Pair | |
Ricin
(Ricinus communis) | BDBM50420409
(CHEMBL2089317)Show SMILES COc1ccc(Cn2cc(CNC(=O)c3cnc4c(nc(N)[nH]c4=O)n3)nn2)cc1 Show InChI InChI=1S/C18H17N9O3/c1-30-12-4-2-10(3-5-12)8-27-9-11(25-26-27)6-21-16(28)13-7-20-14-15(22-13)23-18(19)24-17(14)29/h2-5,7,9H,6,8H2,1H3,(H,21,28)(H3,19,22,23,24,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay |
ACS Med Chem Lett 3: 588-591 (2012)
Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B |
More data for this
Ligand-Target Pair | |
Ricin
(Ricinus communis) | BDBM50420405
(CHEMBL2089312)Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1ccc(o1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C19H16N8O4/c20-19-26-15-14(18(30)27-19)22-9-12(25-15)16(28)24-8-11-4-5-13(31-11)17(29)23-7-10-3-1-2-6-21-10/h1-6,9H,7-8H2,(H,23,29)(H,24,28)(H3,20,25,26,27,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay |
ACS Med Chem Lett 3: 588-591 (2012)
Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B |
More data for this
Ligand-Target Pair | |
Ricin
(Ricinus communis) | BDBM50420414
(CHEMBL2089315)Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1 Show InChI InChI=1S/C17H14ClN9O2/c18-10-3-1-9(2-4-10)7-27-8-11(25-26-27)5-21-15(28)12-6-20-13-14(22-12)23-17(19)24-16(13)29/h1-4,6,8H,5,7H2,(H,21,28)(H3,19,22,23,24,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay |
ACS Med Chem Lett 3: 588-591 (2012)
Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B |
More data for this
Ligand-Target Pair | |
Ricin
(Ricinus communis) | BDBM50420412
(CHEMBL2089328)Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cn(Cc2cccc3ccccc23)nn1 Show InChI InChI=1S/C21H17N9O2/c22-21-26-18-17(20(32)27-21)23-9-16(25-18)19(31)24-8-14-11-30(29-28-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,9,11H,8,10H2,(H,24,31)(H3,22,25,26,27,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay |
ACS Med Chem Lett 3: 588-591 (2012)
Article DOI: 10.1021/ml300099t
BindingDB Entry DOI: 10.7270/Q2N29Z7B |
More data for this
Ligand-Target Pair | |
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